N-[1-(4-imidazol-1-ylphenyl)ethyl]-3,4,5-trimethoxy-2-nitro-benzamide

Systemtic Name: N-[1-(4-imidazol-1-ylphenyl)ethyl]-3,4,5-trimethoxy-2-nitro-benzamide Openeye Name: N-[1-(4-imidazol-1-ylphenyl)ethyl]-3,4,5-trimethoxy-2-nitro-benzamide CAS Name: N-[1-[4-(1-imidazolyl)phenyl]ethyl]-3,4,5-trimethoxy-2-nitrobenzamide IUPAC Name: N-[1-(4-imidazol-1-ylphenyl)ethyl]-3,4,5-trimethoxy-2-nitrobenzamide Traditional Name: N-[1-(4-imidazol-1-ylphenyl)ethyl]-3,4,5-trimethoxy-2-nitro-benzamide Formula: C21H22N4O6 MolecularWeight: 426.42258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N2C=CN=C2)NC(=O)C3=CC(=C(C(=C3[N+](=O)[O-])OC)OC)OC

Isomeric SMILES

CC(C1=CC=C(C=C1)N2C=CN=C2)NC(=O)C3=CC(=C(C(=C3[N+](=O)[O-])OC)OC)OC

InChI

InChI=1S/C21H22N4O6/c1-13(14-5-7-15(8-6-14)24-10-9-22-12-24)23-21(26)16-11-17(29-2)19(30-3)20(31-4)18(16)25(27)28/h5-13H,1-4H3,(H,23,26)